Changelog
- Command line option for functional listing by @marvinfriede in #219
- Add D4 parameters for RSHs by @marvinfriede in #220
- Add config for RTD by @awvwgk in #226
- Actinides by @marvinfriede in #227
- Update mamba provider by @marvinfriede in #228
- Actinide Update by @marvinfriede in #229
- Update interface for gradient for PySCF 2.4 by @awvwgk in #230
- Fix sorting functional names by @marvinfriede in #232
- r2SCAN double-hybrid and wr2SCAN range-separated hybrid parameters. by @lukaswittmann in #225
- Correction to Am and Cm electronegativities by @lukaswittmann in #233
- Add libxc functional names by @marvinfriede in #234
- Fix Ac parameters by @marvinfriede in #242
- Fix wheel workflow by @marvinfriede in #250
- Fix Python workflow by @marvinfriede in #251
- Fix passing atomic numbers from PySCF to D4 interface by @marvinfriede in #248
- Fix periodic PySCF calculations by @aizvorski in #254
- Treat Intel LLVM compiler as standard Intel compiler (#252) by @hongyi-zhao in #253
- Release version 3.7.0 by @awvwgk in #231
New Contributors
- @lukaswittmann made their first contribution in #225
- @aizvorski made their first contribution in #254
- @hongyi-zhao made their first contribution in #253
Full Changelog: v3.6.0...v3.7.0
Contributors
aizvorski, hongyi-zhao, and 3 other contributors